YGF
(3aS,4R,7R,10aS)-2,6-diamino-4-(hydroxymethyl)-3a,4,8,9-tetrahydro-1H,10H-pyrrolo[1,2-c]purine-10,10-diol
| Created: | 2023-12-04 |
| Last modified: | 2025-05-07 |
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Chemical Details | |
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| Formal Charge | 0 |
| Atom Count | 34 |
| Chiral Atom Count | 3 |
| Bond Count | 36 |
| Aromatic Bond Count | 0 |
Chemical Component Summary | |
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| Name | (3aS,4R,7R,10aS)-2,6-diamino-4-(hydroxymethyl)-3a,4,8,9-tetrahydro-1H,10H-pyrrolo[1,2-c]purine-10,10-diol |
| Systematic Name (OpenEye OEToolkits) | (3~{a}~{S},4~{R},10~{a}~{S})-2,6-bis(azanyl)-4-(hydroxymethyl)-3~{a},4,8,9-tetrahydro-1~{H}-pyrrolo[1,2-c]purine-10,10-diol |
| Formula | C9 H16 N6 O3 |
| Molecular Weight | 256.262 |
| Type | NON-POLYMER |
Chemical Descriptors | |||
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| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | NC1=NC(CO)C2N=C(N)NC22N1CCC2(O)O |
| SMILES | CACTVS | 3.385 | NC1=N[CH]2[CH](CO)N=C(N)N3CCC(O)(O)[C]23N1 |
| SMILES | OpenEye OEToolkits | 2.0.7 | C1CN2C(=NC(C3C2(C1(O)O)NC(=N3)N)CO)N |
| Canonical SMILES | CACTVS | 3.385 | NC1=N[C@H]2[C@H](CO)N=C(N)N3CCC(O)(O)[C@]23N1 |
| Canonical SMILES | OpenEye OEToolkits | 2.0.7 | C1CN2C(=N[C@H]([C@H]3[C@]2(C1(O)O)NC(=N3)N)CO)N |
| InChI | InChI | 1.06 | InChI=1S/C9H16N6O3/c10-6-13-5-4(3-16)12-7(11)15-2-1-8(17,18)9(5,15)14-6/h4-5,16-18H,1-3H2,(H2,11,12)(H3,10,13,14)/t4-,5-,9-/m0/s1 |
| InChIKey | InChI | 1.06 | VRRIYZJUSNMZMP-PJPYAQQDSA-N |
